activity
20232025
most citedGenerative Flows on Synthetic Pathway for Drug Design

4 citations · 9 across the 18 of their papers we have counts for

collaborators

18 papers

cs.LG2025

Active Attacks: Red-teaming LLMs via Adaptive Environments

Taeyoung Yun, Pierre-Luc St-Charles, Jinkyoo Park +2

We address the challenge of generating diverse attack prompts for large language models (LLMs) that elicit harmful behaviors (e.g., insults, sexual content) and are used for safety…

cs.LG2025

Diffusion Alignment as Variational Expectation-Maximization

Jaewoo Lee, Minsu Kim, Sanghyeok Choi +7

Diffusion alignment aims to optimize diffusion models for the downstream objective. While existing methods based on reinforcement learning or direct backpropagation achieve conside…

cs.LG2025

Posterior Inference in Latent Space for Scalable Constrained Black-box Optimization

Kiyoung Om, Kyuil Sim, Taeyoung Yun +2

Optimizing high-dimensional black-box functions under black-box constraints is a pervasive task in a wide range of scientific and engineering problems. These problems are typically…

cs.CV2025

Learning to Sample Effective and Diverse Prompts for Text-to-Image Generation

Taeyoung Yun, Dinghuai Zhang, Jinkyoo Park +1

Recent advances in text-to-image diffusion models have achieved impressive image generation capabilities. However, it remains challenging to control the generation process with des…

cs.LG2025

Posterior Inference with Diffusion Models for High-dimensional Black-box Optimization

Taeyoung Yun, Kiyoung Om, Jaewoo Lee +2

Optimizing high-dimensional and complex black-box functions is crucial in numerous scientific applications. While Bayesian optimization (BO) is a powerful method for sample-efficie…

q-bio.BM2024★ 1 cited

MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks

Nayoung Kim, Seongsu Kim, Minsu Kim +2

Metal-organic frameworks (MOFs) are a class of crystalline materials with promising applications in many areas such as carbon capture and drug delivery. In this work, we introduce…

q-bio.BM2024★ 4 cited

Generative Flows on Synthetic Pathway for Drug Design

Seonghwan Seo, Minsu Kim, Tony Shen +4

Generative models in drug discovery have recently gained attention as efficient alternatives to brute-force virtual screening. However, most existing models do not account for synt…

cs.LG2024

Improved Off-policy Reinforcement Learning in Biological Sequence Design

Hyeonah Kim, Minsu Kim, Taeyoung Yun +4

Designing biological sequences with desired properties is challenging due to vast search spaces and limited evaluation budgets. Although reinforcement learning methods use proxy mo…

cs.LG2024

Adaptive teachers for amortized samplers

Minsu Kim, Sanghyeok Choi, Taeyoung Yun +7

Amortized inference is the task of training a parametric model, such as a neural network, to approximate a distribution with a given unnormalized density where exact sampling is in…

cs.LG2024

An Offline Meta Black-box Optimization Framework for Adaptive Design of Urban Traffic Light Management Systems

Taeyoung Yun, Kanghoon Lee, Sujin Yun +6

Complex urban road networks with high vehicle occupancy frequently face severe traffic congestion. Designing an effective strategy for managing multiple traffic lights plays a cruc…

cs.LG2024

Guided Trajectory Generation with Diffusion Models for Offline Model-based Optimization

Taeyoung Yun, Sujin Yun, Jaewoo Lee +1

Optimizing complex and high-dimensional black-box functions is ubiquitous in science and engineering fields. Unfortunately, the online evaluation of these functions is restricted d…

cs.AI2024

GTA: Generative Trajectory Augmentation with Guidance for Offline Reinforcement Learning

Jaewoo Lee, Sujin Yun, Taeyoung Yun +1

Offline Reinforcement Learning (Offline RL) presents challenges of learning effective decision-making policies from static datasets without any online interactions. Data augmentati…

cs.LG2024

Pessimistic Backward Policy for GFlowNets

Hyosoon Jang, Yunhui Jang, Minsu Kim +2

This paper studies Generative Flow Networks (GFlowNets), which learn to sample objects proportionally to a given reward function through the trajectory of state transitions. In thi…

cs.LG2024★ 3 cited

Ant Colony Sampling with GFlowNets for Combinatorial Optimization

Minsu Kim, Sanghyeok Choi, Hyeonah Kim +3

We present the Generative Flow Ant Colony Sampler (GFACS), a novel meta-heuristic method that hierarchically combines amortized inference and parallel stochastic search. Our method…

q-bio.QM2024

Decoupled Sequence and Structure Generation for Realistic Antibody Design

Nayoung Kim, Minsu Kim, Sungsoo Ahn +1

Recently, deep learning has made rapid progress in antibody design, which plays a key role in the advancement of therapeutics. A dominant paradigm is to train a model to jointly ge…

q-bio.BM2024★ 1 cited

Genetic-guided GFlowNets for Sample Efficient Molecular Optimization

Hyeonah Kim, Minsu Kim, Sanghyeok Choi +1

The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative…

cs.LG2023

Learning to Scale Logits for Temperature-Conditional GFlowNets

Minsu Kim, Joohwan Ko, Taeyoung Yun +6

GFlowNets are probabilistic models that sequentially generate compositional structures through a stochastic policy. Among GFlowNets, temperature-conditional GFlowNets can introduce…

cs.LG2023

Local Search GFlowNets

Minsu Kim, Taeyoung Yun, Emmanuel Bengio +4

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ab…